1,3-dimethyl-7-[[5-(3-piperidin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[5-(3-piperidin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-[3-(1-piperidyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-[3-(1-piperidinyl)propyl]-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(3-piperidin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(3-piperidinopropyl)-1,2,4-oxadiazol-3-yl]methyl]xanthine Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCCN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=N3)CCCN4CCCCC4

InChI

InChI=1S/C18H25N7O3/c1-22-16-15(17(26)23(2)18(22)27)25(12-19-16)11-13-20-14(28-21-13)7-6-10-24-8-4-3-5-9-24/h12H,3-11H2,1-2H3